Conocenolide B (CHEBI:204841)

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CHEBI:204841 - Conocenolide B

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ChEBI ID	CHEBI:204841
ChEBI Name	Conocenolide B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H22O3
Net Charge	0
Average Mass	250.338
Monoisotopic Mass	250.15689
SMILES	C=C[C@@H]1CC(C)(C)C/C1=C1\COC(=O)C[C@H]1CO
InChI	InChI=1S/C15H22O3/c1-4-10-6-15(2,3)7-12(10)13-9-18-14(17)5-11(13)8-16/h4,10-11,16H,1,5-9H2,2-3H3/b13-12-/t10-,11+/m1/s1
InChIKey	QVNRIPFGHBSDBK-WBMWQFGBSA-N

Species of Metabolite	Component	Source	Comments
Conocybe siliginea (ncbitaxon:373326)	-	PubMed (17822298)

ChEBI Ontology

Outgoing Relation(s)
	Conocenolide B (CHEBI:204841) is a δ-lactone (CHEBI:18946)

IUPAC Name
(4R,5E)-5-[(2S)-2-ethenyl-4,4-dimethylcyclopentylidene]-4-(hydroxymethyl)oxan-2-one

Manual Xrefs	Databases
78441024	ChemSpider